Difference between revisions of "Doublerot.m"
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==See also== | ==See also== | ||
| − | [[singlerot.m]], [[ | + | [[powder.m]], [[liquid.m]], [[roadmap.m]], [[singlerot.m]], [[crystal.m]], [[imaging.m]], [[gridfree.m]], [[floquet.m]] |
''Version 2.2, authors: [[Ilya Kuprov]]'' | ''Version 2.2, authors: [[Ilya Kuprov]]'' | ||
Revision as of 15:39, 8 July 2018
Fokker-Planck double angle spinning context. Generates a Liouvillian superoperator and passes it on to the pulse sequence function, which should be supplied as a handle.
Contents
Syntax
answer=doublerot(spin_system,pulse_sequence,parameters,assumptions)
Arguments
pulse_sequence - function handle to a pulse sequence, which must have
the following call syntax:
answer=pulse_sequence(spin_system,parameters,H,R,K)
where parameters is a structure described below, H is
the Hamiltonian, R is relaxation superoperator, and K
is the kinetics superoperator
assumptions - the string that will be passed to assume.m when
the Hamiltonian is built
parameters.rate_outer - outer rotor spinning rate in Hz
parameters.rate_inner - inner rotor spinning rate in Hz
parameters.axis_outer - spinning axis of the outer rotor,
given as a normalized 3-element
vector
parameters.axis_inner - spinning axis of the inner rotor,
given as a normalized 3-element
vector
parameters.rank_outer - maximum harmonic rank to retain in
the solution (increase till conver-
gence is achieved, approximately
equal to the number of spinning si-
debands in the spectrum) for the
outer rotor
parameters.rank_inner - maximum harmonic rank to retain in
the solution (increase till conver-
gence is achieved, approximately
equal to the number of spinning si-
debands in the spectrum) for the
inner rotor
parameters.rframes - rotating frame specification, e.g.
{{'13C',2},{'14N,3}} requests second
order rotating frame transformation
with respect to carbon-13 and third
order rotating frame transformation
with respect to nitrogen-14
Additional subfields may be required by the pulse sequence. The parameters structure is passed to the pulse sequence with the following additional parameters set:
parameters.spc_dim - matrix dimension for the spatial
dynamics subspace
parameters.spn_dim - matrix dimension for the spin
dynamics subspace
Outputs
This function returns the powder average of whatever it is that the pulse sequence returns.
Examples
See nmr_solids and nmr_overtone directories in the example set.
Notes
- Arbitrary order rotating frame transformation is supported, including infinite order. See rotframe.m for further information.
- The state projector assumes a powder - single crystal DOR is not currently supported.
- The function supports parallel processing via Matlab's Distributed Computing Toolbox - different system orientations are evaluated on different labs.
See also
powder.m, liquid.m, roadmap.m, singlerot.m, crystal.m, imaging.m, gridfree.m, floquet.m
Version 2.2, authors: Ilya Kuprov